SCHEMBL8214243

SCHEMBL8214243

O=C(/C=C/c1cnc2cc3c(cc2c1)OCO3)C12CCCC3CC(CC3C1)C2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
LMNA P02545 4/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 2/20 0.33
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 6/20 0.32
NPC1 O15118 3/20 0.32
TRPM8 Q7Z2W7 3/20 0.32
TP53 P04637 1/20 0.32
MAOB P27338 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 3/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8221280 0.94 MEN1 (0.33) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL4730340 0.86 HPGD (0.41) HPGDSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL8213322 0.84 PDGFRB (0.42) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL8221266 0.84 RAB9A (0.49) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL8214695 0.82 ALDH1A1 (0.40) HPGDSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL8219294 0.81 HPGDS (0.41) SMN1; SMN2KMT2AKDM4E
SCHEMBL4730660 0.80 SMN1; SMN2 (0.41) HPGDSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL8268378 0.77 KDM4E (0.48) HPGDSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL8219508 0.73 LMNA (0.40) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL8213285 0.72 MAPT (0.45) ALDH1A1KMT2APOLBMAPTRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008035049-A1 ADAMANTANYL-(CYCLOPROPYL)-KETONES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2008-03-27 WO disclosed